[1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester

Base Information

• Chemical Name: [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester
• CAS No.: 59748-19-5
• Molecular Formula: C29H34 O2
• Molecular Weight: 414.588
• European Community (EC) Number: 261-908-2
• DSSTox Substance ID: DTXSID8069355
• Nikkaji Number: J298.226I
• Wikidata: Q81996215
• Mol file: 59748-19-5.mol

Synonyms:4-Pentylphenyl 4-pentyl-4'-biphenylcarboxylate;59748-19-5;[1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester;EINECS 261-908-2;4-Pentylphenyl 4'-pentyl(1,1'-biphenyl)-4-carboxylate;4-Pentylphenyl 4'-pentyl[1,1'-biphenyl]-4-carboxylate;(1,1'-Biphenyl)-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester;SCHEMBL3507504;DTXSID8069355;4'-Pentyl-4-biphenylcarboxylic acid 4-pentylphenyl ester;4'-Pentyl-biphenyl-4-carboxylic acid 4-pentyl-phenyl ester

Chemical Property of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester

Chemical Property:

• Melting Point: 93 °C (methanol)
• Boiling Point: 547.6±49.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.029±0.06 g/cm3(Predicted)
• LogP: 8.03820
• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 414.255880323
• Heavy Atom Count: 31
• Complexity: 477

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC

Technology Process of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester

There total 3 articles about [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-n-pentylphenol (14938-35-3) + sodium hydrogencarbonate (144-55-8) → 4-pentylphenyl 4'-pentyl(1,1'-biphenyl)-4-carboxylate (59748-19-5)

Guidance literature:

With sulfuric acid; boric acid; In water; toluene;

Reference yield:

4-cyano-4'-pentyl-1,1'-biphenyl (40817-08-1) → 4-pentylphenyl 4'-pentyl(1,1'-biphenyl)-4-carboxylate (59748-19-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / ethane-1,2-diol

2: aq. H₂SO₄, aq. H₃BO₃

With sodium hydroxide; sulfuric acid; boric acid; In ethylene glycol;

Reference yield:

4-n-pentylphenol (14938-35-3) + 4-(4-n-pentylphenyl)benzoic acid (59662-47-4) → 4-pentylphenyl 4'-pentyl(1,1'-biphenyl)-4-carboxylate (59748-19-5)

Guidance literature:

With sulfuric acid; boric acid;

upstream raw materials:

4-n-pentylphenol

4-(4-n-pentylphenyl)benzoic acid

4-cyano-4'-pentyl-1,1'-biphenyl

sodium hydrogencarbonate

Refernces